ChemSpider 2D Image | (3E)-3-(1-Iodohexylidene)-2-phenyl-1-isoindolinone | C20H20INO

(3E)-3-(1-Iodohexylidene)-2-phenyl-1-isoindolinone

  • Molecular FormulaC20H20INO
  • Average mass417.283 Da
  • Monoisotopic mass417.058960 Da
  • ChemSpider ID74790855

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3E)-3-(1-Iodhexyliden)-2-phenyl-1-isoindolinon [German] [ACD/IUPAC Name]
(3E)-3-(1-Iodohexylidene)-2-phenyl-1-isoindolinone [ACD/IUPAC Name]
(3E)-3-(1-Iodohexylidène)-2-phényl-1-isoindolinone [French] [ACD/IUPAC Name]
1H-Isoindol-1-one, 2,3-dihydro-3-(1-iodohexylidene)-2-phenyl-, (3E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 491.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 251.1±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28593.44
ACD/KOC (pH 5.5): 53874.09
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28593.50
ACD/KOC (pH 7.4): 53874.21
Polar Surface Area: 20 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 280.5±3.0 cm3

Click to predict properties on the Chemicalize site


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